CID 9570797

Nsc 221146

Structural Information

Molecular Formula
C9H7Cl4N3O2
SMILES
C1=CC(=CC=C1NC(=O)O/N=C(/C(Cl)(Cl)Cl)\N)Cl
InChI
InChI=1S/C9H7Cl4N3O2/c10-5-1-3-6(4-2-5)15-8(17)18-16-7(14)9(11,12)13/h1-4H,(H2,14,16)(H,15,17)
InChIKey
UQGGWYCMAMPRLY-UHFFFAOYSA-N
Compound name
[(Z)-(1-amino-2,2,2-trichloroethylidene)amino] N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.92923 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.93651 168.9
[M+Na]+ 351.91845 176.2
[M-H]- 327.92195 170.4
[M+NH4]+ 346.96305 183.4
[M+K]+ 367.89239 171.3
[M+H-H2O]+ 311.92649 165.7
[M+HCOO]- 373.92743 174.0
[M+CH3COO]- 387.94308 209.6
[M+Na-2H]- 349.90390 170.9
[M]+ 328.92868 170.0
[M]- 328.92978 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.